2-[2-(3,5-dimethylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC(CCSC)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC(CCSC)C(=O)O)C

InChI

InChI=1S/C15H21NO4S/c1-10-6-11(2)8-12(7-10)20-9-14(17)16-13(15(18)19)4-5-21-3/h6-8,13H,4-5,9H2,1-3H3,(H,16,17)(H,18,19)